SCHEMBL29648679

SCHEMBL29648679

O=C1NCCCC[C@H]1Nc1nc2ccccc2c2nc(-c3ccc(F)cc3OC(F)(F)F)nn12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
MAPT P10636 2/20 0.35
MGLL Q99685 1/20 0.35
C1R P00736 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PLAT P00750 4/20 0.33
ACP1 P24666 1/20 0.33
TACR2 P21452 2/20 0.33
TACR1 P25103 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIA1 P42261 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22979159 1.00 MKNK1 (0.36) MKNK1MKNK2DDB1CRBNMAPT
SCHEMBL29648649 0.95 MAPT (0.36) MKNK1MKNK2DDB1CRBNMAPT
SCHEMBL29648841 0.95 MAPT (0.36) MKNK1MKNK2DDB1CRBNMAPT
SCHEMBL22981140 0.95 MAPT (0.36) MKNK1MKNK2DDB1CRBNMAPT
SCHEMBL22979040 0.95 MAPT (0.36) MKNK1MKNK2DDB1CRBNMAPT
SCHEMBL22987931 0.93 MKNK1 (0.39) MKNK1MKNK2DDB1CRBNMAPT
SCHEMBL22979222 0.93 MKNK1 (0.39) MKNK1MKNK2DDB1CRBNMAPT
SCHEMBL29648829 0.93 MKNK1 (0.39) MKNK1MKNK2DDB1CRBNMAPT
SCHEMBL29648695 0.93 MKNK1 (0.39) MKNK1MKNK2DDB1CRBNMAPT
SCHEMBL22988023 0.92 MKNK1 (0.38) MKNK1MKNK2DDB1CRBNMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed